Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027540
PROPERTIES
| NPAID | NPA027540 |
|---|---|
| CLUSTER ID | 50 |
| NODE ID | 46 |
| NAME | [ADMAdda5,Mser7]MC-LR |
| FORMULA | C50H76N10O14 |
| MOLECULAR WEIGHT (Da) | 1041.2140 |
| ACCURATE MASS (Da) | 1040.5542 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Nostoc |
| ORIGIN SPECIES | sp. 152 |
| InChIKey | FGMNKDLRQCTWIB-BYOYILFWSA-N |
| InChI | InChI=1S/C50H76N10O14/c1-26(2)22-37-46(68)59-41(49(72)73)30(6)43(65)56-35(16-13-21-53-50(51)52)45(67)55-34(18-17-27(3)23-28(4)39(74-32(8)62)24-33-14-11-10-12-15-33)29(5)42(64)57-36(48(70)71)19-20-40(63)60(9)38(25-61)47(69)54-31(7)44(66)58-37/h10-12,14-15,17-18,23,26,28-31,34-39,41,61H,13,16,19-22,24-25H2,1-9H3,(H,54,69)(H,55,67)(H,56,65)(H,57,64)(H,58,66)(H,59,68)(H,70,71)(H,72,73)(H4,51,52,53)/b18-17+,27-23+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,39-,41+/m0/s1 |
| SMILES | CC(=O)O[C@@H](CC1=CC=CC=C1)[C@@H](C)/C=C(C)/C=C/[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](C)[C@H](C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)[C@H](CO)N(C)C(=O)CC[C@H](C(=O)O)NC(=O)[C@H]1C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Sivonen, K; Namikoshi, M; Evans, W.R; Fardig, M; Carmichael, W.W; Rinehart K.L. Three new microcystins, cyclic heptapeptide hepatotoxins, from Nostoc sp. strain 152 Chemical Research in Toxicology 1992 5 (4) 464-469. | ||
|---|---|---|---|
| DOI | 10.1021/tx00028a003 | PMID | - |
